Molecule

ID:24788

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₂
Molecular Mass
250.33668
Exact Mass
250.16812795
Charge
0
InChI
InChI=1S/C14H22N2O2/c1-17-13-4-3-11(9-14(13)18-2)10-16-7-5-12(15)6-8-16/h3-4,9,12H,5-8,10,15H2,1-2H3
InChIKey
SFGKHXRAIWBGPR-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)CN1CCC(CC1)N
Isomeric Smiles
N1(Cc2cc(c(cc2)OC)OC)CCC(CC1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.8521209
LogD (pH = 7.4)
-2.084266
Log P
0.81047785
Molar Refractivity
72.9089
Polarizability
28.736464
Polar Surface Area
47.72
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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